6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine

C49H44BrN7O4 — CID 157450985

IUPAC6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(-c3cccnc3)cc2[nH]1.CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C27H24N4O2.C22H20BrN3O2/c1-18(2)33-25-11-10-22(32-17-19-7-4-3-5-8-19)14-23(25)26-30-24-13-21(16-29-27(24)31-26)20-9-6-12-28-15-20;1-14(2)28-20-9-8-17(27-13-15-6-4-3-5-7-15)11-18(20)21-25-19-10-16(23)12-24-22(19)26-21/h3-16,18H,17H2,1-2H3,(H,29,30,31);3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeyBSUKYRAEBSHXCC-UHFFFAOYSA-N
MW874.84 g/mol
LogP11.81
Rot. Bonds13

About 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine

6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 157450985) has the molecular formula C49H44BrN7O4 and a molecular weight of 874.84 g/mol. Its IUPAC name is 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID157450985
Molecular FormulaC49H44BrN7O4
Molecular Weight874.84 g/mol
Exact Mass873.26
IUPAC Name6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(-c3cccnc3)cc2[nH]1.CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C27H24N4O2.C22H20BrN3O2/c1-18(2)33-25-11-10-22(32-17-19-7-4-3-5-8-19)14-23(25)26-30-24-13-21(16-29-27(24)31-26)20-9-6-12-28-15-20;1-14(2)28-20-9-8-17(27-13-15-6-4-3-5-7-15)11-18(20)21-25-19-10-16(23)12-24-22(19)26-21/h3-16,18H,17H2,1-2H3,(H,29,30,31);3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeyBSUKYRAEBSHXCC-UHFFFAOYSA-N
XLogP11.81
TPSA132.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.84
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 90114599
2-(4-(Benzyloxy)-3-bromophenyl)-6-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine
CID 90356809
2-(4-(benzyloxy)-3-(pyridin-3-yl)phenyl)-6-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine
CID 90368167
4-[4-[5-(3-ethoxy-4-methyl-phenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413967
2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907073
6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-(4-phenoxyphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907279
2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907281
2-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 145950396
6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 10288407
6-(3-fluorophenyl)-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 16062822
6-bromo-2-[3-[(2-fluorophenyl)methoxy]-5-[(1-methylimidazol-2-yl)methoxy]phenyl]-1H-imidazo[4,5-b]pyridine
CID 16062948
6-bromo-2-[3-[(2-fluorophenyl)methoxy]-5-pyrimidin-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 16063218

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (CID 157450985) is 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(-c3cccnc3)cc2[nH]1.CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is BSUKYRAEBSHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.C22H20BrN3O2/c1-18(2)33-25-11-10-22(32-17-19-7-4-3-5-8-19)14-23(25)26-30-24-13-21(16-29-27(24)31-26)20-9-6-12-28-15-20;1-14(2)28-20-9-8-17(27-13-15-6-4-3-5-7-15)11-18(20)21-25-19-10-16(23)12-24-22(19)26-21/h3-16,18H,17H2,1-2H3,(H,29,30,31);3-12,14H,13H2,1-2H3,(H,24,25,26).
What are the key properties of 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 874.84 g/mol, XLogP of 11.81, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine;2-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 157450985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).